N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine

C12H9ClF2N2 — CID 104937745

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
SMILESFc1cc(Cl)cc(CNc2ccc(F)nc2)c1
InChIInChI=1S/C12H9ClF2N2/c13-9-3-8(4-10(14)5-9)6-16-11-1-2-12(15)17-7-11/h1-5,7,16H,6H2
InChIKeyNVBHPSMUGGJNQG-UHFFFAOYSA-N
MW254.67 g/mol
LogP3.63
Rot. Bonds3

About N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine

N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine (PubChem CID 104937745) has the molecular formula C12H9ClF2N2 and a molecular weight of 254.67 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
PubChem CID104937745
Molecular FormulaC12H9ClF2N2
Molecular Weight254.67 g/mol
Exact Mass254.04
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
SMILESFc1cc(Cl)cc(CNc2ccc(F)nc2)c1
InChIInChI=1S/C12H9ClF2N2/c13-9-3-8(4-10(14)5-9)6-16-11-1-2-12(15)17-7-11/h1-5,7,16H,6H2
InChIKeyNVBHPSMUGGJNQG-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
CID 114452658
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452826
N-[(3-chloro-5-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 114452531
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]benzoic acid
CID 114452545
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452683
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 114452169
N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)-3-fluoroaniline
CID 114452668
N-[4-[(3-chloro-5-fluorophenyl)methylamino]phenyl]propanamide
CID 114452478
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine (CID 104937745) is N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine is Fc1cc(Cl)cc(CNc2ccc(F)nc2)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
The InChIKey is NVBHPSMUGGJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2/c13-9-3-8(4-10(14)5-9)6-16-11-1-2-12(15)17-7-11/h1-5,7,16H,6H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine has a molecular weight of 254.67 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 104937745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).