3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine

C14H11Cl2F3N2 — CID 65029357

IUPAC3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(CCCl)cc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2F3N2/c15-6-5-9-1-3-11(4-2-9)21-13-12(16)7-10(8-20-13)14(17,18)19/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyGYEQRYUFKDTYQN-UHFFFAOYSA-N
MW335.16 g/mol
LogP5.28
Rot. Bonds4

About 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 65029357) has the molecular formula C14H11Cl2F3N2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID65029357
Molecular FormulaC14H11Cl2F3N2
Molecular Weight335.16 g/mol
Exact Mass334.03
IUPAC Name3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(CCCl)cc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2F3N2/c15-6-5-9-1-3-11(4-2-9)21-13-12(16)7-10(8-20-13)14(17,18)19/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyGYEQRYUFKDTYQN-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.16
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanamide
CID 4188467
methyl 4-[[5-amino-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzoate
CID 19149489
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22533481
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
2-methylpropyl 4-[[5-amino-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzoate
CID 19149588
6-N-(4-butoxyphenyl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidine-4,6-diamine
CID 23495222
6-N-(3-bromophenyl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5,6-triamine
CID 19153003
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 65029357) is 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(Nc2ccc(CCCl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GYEQRYUFKDTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2/c15-6-5-9-1-3-11(4-2-9)21-13-12(16)7-10(8-20-13)14(17,18)19/h1-4,7-8H,5-6H2,(H,20,21).
What are the key properties of 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.16 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 65029357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).