N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine

C12H17ClFN3 — CID 114147330

IUPACN-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
SMILESNC1CCC(CNc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H17ClFN3/c13-9-5-11(14)12(17-7-9)16-6-8-1-3-10(15)4-2-8/h5,7-8,10H,1-4,6,15H2,(H,16,17)
InChIKeyLVARYZZVWMHVTG-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.80
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine

N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine (PubChem CID 114147330) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
PubChem CID114147330
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC NameN-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
SMILESNC1CCC(CNc2ncc(Cl)cc2F)CC1
InChIInChI=1S/C12H17ClFN3/c13-9-5-11(14)12(17-7-9)16-6-8-1-3-10(15)4-2-8/h5,7-8,10H,1-4,6,15H2,(H,16,17)
InChIKeyLVARYZZVWMHVTG-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
5-chloro-3-fluoro-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 115681742
4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130548
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
5-chloro-N-cyclobutyl-3-fluoropyridin-2-amine
CID 79727841
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727754
N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 112753140

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine (CID 114147330) is N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine is NC1CCC(CNc2ncc(Cl)cc2F)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is LVARYZZVWMHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c13-9-5-11(14)12(17-7-9)16-6-8-1-3-10(15)4-2-8/h5,7-8,10H,1-4,6,15H2,(H,16,17).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine?
N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 257.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 114147330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).