2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine

C12H11ClFN3 — CID 62539567

IUPAC2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C12H11ClFN3/c13-10-5-8(1-3-11(10)14)6-16-12-4-2-9(15)7-17-12/h1-5,7H,6,15H2,(H,16,17)
InChIKeyNMQTYJHIDLDEDM-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.07
Rot. Bonds3

About 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine

2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine (PubChem CID 62539567) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
PubChem CID62539567
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C12H11ClFN3/c13-10-5-8(1-3-11(10)14)6-16-12-4-2-9(15)7-17-12/h1-5,7H,6,15H2,(H,16,17)
InChIKeyNMQTYJHIDLDEDM-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139
6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80647965
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194
[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231693
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
5-amino-2-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62532789

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine (CID 62539567) is 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine is Nc1ccc(NCc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine?
The InChIKey is NMQTYJHIDLDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-10-5-8(1-3-11(10)14)6-16-12-4-2-9(15)7-17-12/h1-5,7H,6,15H2,(H,16,17).
What are the key properties of 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine?
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine has a molecular weight of 251.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 62539567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).