N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine

C12H10ClFN2 — CID 62537645

IUPACN-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccccn2)cc1Cl
InChIInChI=1S/C12H10ClFN2/c13-10-7-9(4-5-11(10)14)8-16-12-3-1-2-6-15-12/h1-7H,8H2,(H,15,16)
InChIKeyFJDQAIPNNXZWQE-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.49
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine

N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 62537645) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
PubChem CID62537645
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccccn2)cc1Cl
InChIInChI=1S/C12H10ClFN2/c13-10-7-9(4-5-11(10)14)8-16-12-3-1-2-6-15-12/h1-7H,8H2,(H,15,16)
InChIKeyFJDQAIPNNXZWQE-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
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
2-[(3-chloro-4-fluorophenyl)methylamino]pyridine-4-carbothioamide
CID 62538283
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
6-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbothioamide
CID 64596457
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
2-amino-5-[(pyridin-2-ylamino)methyl]phenol
CID 69342170
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine (CID 62537645) is N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2ccccn2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is FJDQAIPNNXZWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-10-7-9(4-5-11(10)14)8-16-12-3-1-2-6-15-12/h1-7H,8H2,(H,15,16).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 236.68 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 62537645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).